SCHEMBL11034175

SCHEMBL11034175

[CH](CCOc1ccccn1)CN1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
PTGS2 P35354 1/20 0.50
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
KMT2A Q03164 1/20 0.40
GMNN O75496 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12301687 0.80 LTA4H (0.73) LTA4HPTGS2MEN1TSHRKMT2A
SCHEMBL31143565 0.78 LTA4H (0.71) LTA4HPTGS2TSHRDRD3CHRNB2
SCHEMBL29550011 0.77 LTA4H (0.61) LTA4HPTGS2HRH1KCNH2CYP2D6
SCHEMBL29969794 0.77 LTA4H (0.61) LTA4HPTGS2HRH1KCNH2CYP2D6
SCHEMBL5802568 0.76 LTA4H (0.55) LTA4HPTGS2ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7399157 0.74 LTA4H (0.54) LTA4HPTGS2LMNAALDH1A1GMNN
SCHEMBL3363202 0.74 LTA4H (0.54) LTA4HPTGS2ALDH1A1
SCHEMBL1680020 0.73 LTA4H (0.51) LTA4HPTGS2LMNAALDH1A1CYP2D6
SCHEMBL29104580 0.73 LTA4H (0.63) LTA4HPTGS2SLC6A4MEN1KMT2A
SCHEMBL4190714 0.71 KDM4E (0.50) LTA4HPTGS2LMNAALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551466-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-11-05 US disclosed